2-(benzyl(5-(benzyl(2-(cyclohexylamino)-2-oxoethyl)amino)pentyl)amino)-N-(3,4,5-trimethoxyphenyl)acetamide | 1413576-43-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(benzyl(5-(benzyl(2-(cyclohexylamino)-2-oxoethyl)amino)pentyl)amino)-N-(3,4,5-trimethoxyphenyl)acetamide
• 英文别名: 2-[benzyl-[5-[benzyl-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]amino]pentyl]amino]-N-cyclohexylacetamide
• CAS: 1413576-43-8
• 化学式: C₃₈H₅₂N₄O₅
• 分子量: 644.855
• InChiKey: FHMFHUQRSGKRAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  47
• 可旋转键数：
  19
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  92.4
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  二苄基尸胺 、 3,4,5-trimethoxyphenyl isocyanide 在 2-(羟基甲基)苯甲酸 作用下， 以 甲醇 为溶剂， 生成 2-(benzyl(5-(benzyl(2-(cyclohexylamino)-2-oxoethyl)amino)pentyl)amino)-N-(3,4,5-trimethoxyphenyl)acetamide
  参考文献：
  名称：

  An Efficient Synthesis of Symmetric and Unsymmetric Bis-(β-aminoamides) via Ugi Multicomponent Reaction

  摘要：

  A library of symmetrical and unsymmetrical bis-(beta-aminoamides) has been prepared starting from symmetrical secondary diamines by using a double Ugi four-component reaction. A sacrifical Mumm rearrangement, thanks to the use of 2-hydroxymethyl benzoic acid, is necessary to suppress the competing split-Ugi reaction, increasing the yield and simplifying the purification step. The scope, the reaction conditions, and the role of water in trapping the nitrilium intermediate are also discussed.

  DOI：

  10.1021/ol302935y

文献信息

• An Efficient Synthesis of Symmetric and Unsymmetric Bis-(β-aminoamides) via Ugi Multicomponent Reaction
  作者：Fabio La Spisa、Alberto Feo、Riccardo Mossetti、Gian Cesare Tron

  DOI：10.1021/ol302935y

  日期：2012.12.7

  A library of symmetrical and unsymmetrical bis-(beta-aminoamides) has been prepared starting from symmetrical secondary diamines by using a double Ugi four-component reaction. A sacrifical Mumm rearrangement, thanks to the use of 2-hydroxymethyl benzoic acid, is necessary to suppress the competing split-Ugi reaction, increasing the yield and simplifying the purification step. The scope, the reaction conditions, and the role of water in trapping the nitrilium intermediate are also discussed.